Butyl heptanoate
- Product NameButyl heptanoate
- CAS5454-28-4
- CBNumberCB0188069
- MFC11H22O2
- MW186.29
- EINECS226-707-6
- MDL NumberMFCD00048898
- MOL File5454-28-4.mol
Chemical Properties
| Melting point: | −67.5 °C(lit.) |
| Boiling point: | 226 °C(lit.) |
| Density | 0.863 g/mL at 25 °C(lit.) |
| FEMA | 2199 | BUTYL HEPTANOATE |
| refractive index | n |
| Flash point: | 188 °F |
| Odor | at 100.00 %. green fruity licorice grassy oily winey starfruit pear tropical |
| Odor Type | green |
| JECFA Number | 169 |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3 |
| InChIKey | YPQSPODHFDGVAC-UHFFFAOYSA-N |
| SMILES | CCCCCCC(=O)OCCCC |
| LogP | 4.30 |
| CAS DataBase Reference | 5454-28-4 |
| EPA Substance Registry System | Butyl heptanoate (5454-28-4) |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P305+P351+P338 |
| target organs | Respiratory system |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 2915900000 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications |
Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |